SCHEMBL7956141

SCHEMBL7956141

O=C1OC(c2ccc(-c3ccc(F)cc3)cc2)(C2CCCCC2)C(O)=C1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
DRD2 P14416 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
MGLL Q99685 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KCNN4 O15554 3/20 0.33
HPGD P15428 1/20 0.33
TRPA1 O75762 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7968985 0.86 NOTUM (0.39) TDP1HDAC2
SCHEMBL7969090 0.83 HSP90AA1 (0.37)
SCHEMBL6026240 0.80 MCL1 (0.35) HSD11B1
SCHEMBL7966664 0.71 HCAR2 (0.46) HSD11B1
SCHEMBL7030070 0.71 HCAR2 (0.46) HSD11B1
SCHEMBL7956282 0.71 HCAR2 (0.46) HSD11B1
SCHEMBL7956413 0.70 CFTR (0.39) HSD11B1TDP1
SCHEMBL6026778 0.69 BACE1 (0.36)
SCHEMBL7968466 0.67 NOTUM (0.39) TDP1HDAC2
SCHEMBL7971888 0.66 DHODH (0.40) TDP1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed